Li1Y1Zn2

Li1Y1Zn2 is a semiconducting ternary compound containing lithium, yttrium, and zinc that is currently studied for its metastable structural properties.

LiYZn
Crystal structure of Li1Y1Zn2
Ground-state structure · Materials Project
Overview

About Li1Y1Zn2

Li1Y1Zn2 is a complex ternary compound composed of lithium, yttrium, and zinc. As a semiconducting material, it represents an interesting subject for researchers investigating the interplay between light alkali metals and transition metals in crystalline lattices.

Despite its structural complexity and the presence of multiple reported configurations, this compound is identified as being thermodynamically above the hull. This indicates that it likely exists in a metastable state, making it a focus of study for those interested in synthesis pathways and phase stability.

At a glance

Key Properties

Cross-validated computational properties for Li1Y1Zn2, aggregated across 2 databases.

Band Gap

0.26 eV
Range across DFT structures

Energy Above Hull

1.813 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 15 space groups
Uses

Applications

Where Li1Y1Zn2 is used.

Solid-state materials researchFundamental electronic property investigation
Reference

Frequently Asked Questions

Common questions about Li1Y1Zn2, answered from cross-validated data.

What is Li1Y1Zn2?

Li1Y1Zn2 is a semiconducting ternary compound containing lithium, yttrium, and zinc that is currently studied for its metastable structural properties.

More questions
What is Li1Y1Zn2 used for?
Li1Y1Zn2 is used in solid-state materials research and fundamental electronic property investigation.
What is the band gap of Li1Y1Zn2?
Li1Y1Zn2 has a DFT-computed band gap of 0.26 eV across 26 reported structures.
Is Li1Y1Zn2 a metal, semiconductor, or insulator?
With a band gap up to 0.26 eV it is a semiconductor.
Is Li1Y1Zn2 thermodynamically stable?
Li1Y1Zn2 has a lowest energy above hull of 1.813 eV/atom (above hull).
How many polymorphs of Li1Y1Zn2 are known?
26 structures of Li1Y1Zn2 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Li1Y1Zn2 contain?
Li1Y1Zn2 contains Li, Y, and Zn (3 elements).
Where does the data for Li1Y1Zn2 come from?
Li1Y1Zn2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Li1Y1Zn2 occupies a distinct niche in materials science. Without direct structural siblings in this specific chemical family, it serves as an important reference point for understanding how the inclusion of yttrium influences the electronic properties of lithium-zinc systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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